N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-bromanyl-1-adamantyl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[4-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[4-(difluoromethylthio)phenyl]acetamide Formula: C19H22BrF2NOS MolecularWeight: 430.349886

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C19H22BrF2NOS/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)10-16(24)23-14-1-3-15(4-2-14)25-17(21)22/h1-4,12-13,17H,5-11H2,(H,23,24)